1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline

C18H23NO — CID 163498897

IUPAC1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCCOC1=CC=C2C(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C18H23NO/c1-2-20-17-10-11-18-16(13-17)9-6-12-19(18)14-15-7-4-3-5-8-15/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3
InChIKeyCTARIHXXXQVYNZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds4

About 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline

1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 163498897) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID163498897
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCCOC1=CC=C2C(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C18H23NO/c1-2-20-17-10-11-18-16(13-17)9-6-12-19(18)14-15-7-4-3-5-8-15/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3
InChIKeyCTARIHXXXQVYNZ-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-ethylpiperidin-2-one
CID 13440525
ethyl 1-benzyl-2-oxopiperidine-3-carboxylate;hydrochloride
CID 70449395
1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline
CID 133059523
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine
CID 70563486
1-benzyl-3a,4,5,6-tetrahydro-3H-indol-2-one
CID 101011674
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
(1-benzyl-2-oxoazepan-4-yl) N,N-diethylcarbamodithioate
CID 102072685
1-benzyl-N-(4-ethoxybutyl)piperidin-4-amine
CID 167246336
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
1-benzyl-2-methoxypiperidin-3-ol
CID 70527191
(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane
CID 21024188

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline (CID 163498897) is 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline is CCOC1=CC=C2C(CCCN2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is CTARIHXXXQVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-20-17-10-11-18-16(13-17)9-6-12-19(18)14-15-7-4-3-5-8-15/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3.
What are the key properties of 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline?
1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 269.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 163498897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).